SCHEMBL31060331

SCHEMBL31060331

Nc1ccc(-c2csc3ccnc(N)c23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 1.00
AURKA O14965 5/20 1.00
AURKB Q96GD4 5/20 1.00
EPHB4 P54760 1/20 0.63
ROCK2 O75116 4/20 0.53
RPS6KA5 O75582 4/20 0.53
MAP4K4 O95819 4/20 0.53
LCK P06239 4/20 0.53
LYN P07948 4/20 0.53
RET P07949 4/20 0.53
FGFR1 P11362 4/20 0.53
FLT1 P17948 4/20 0.53
RPS6KB1 P23443 4/20 0.53
AXL P30530 4/20 0.53
FLT3 P36888 4/20 0.53
FRK P42685 4/20 0.53
CSNK1A1 P48729 4/20 0.53
CSNK1D P48730 4/20 0.53
CLK2 P49760 4/20 0.53
BLK P51451 4/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3531281 1.00 KDR (1.00) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL28803622 0.88 KDR (0.79) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL17165793 0.87 KDR (0.77) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL3525463 0.83 KDR (0.71) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL3533248 0.81 KDR (0.68) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL3529396 0.81 KDR (0.68) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL27922877 0.81 KDR (0.68) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL27904981 0.80 KDR (0.66) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL3525533 0.79 EPHB4 (0.74) KDRAURKAAURKBEPHB4ROCK2
SCHEMBL2472309 0.79 KDR (0.80) KDRAURKAAURKBROCK2RPS6KA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed